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Prediction of the in vitro permeability determined in Caco-2 cells by using artificial neural networks

✍ Scribed by Paulo Paixão; Luís F. Gouveia; José A.G. Morais


Book ID
113592318
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
459 KB
Volume
41
Category
Article
ISSN
0928-0987

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## Abstract In the present study, 21 validated QSAR models that discriminate compounds with high Caco‐2 permeability (__P__~app~≥8×10^−6^ cm/s) from those with moderate‐poor permeability (__P__~app~<8×10^−6^ cm/s) were developed on a novel large dataset of 674 compounds. 20 DRAGON descriptor famili